[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C20H27N5O2 — CID 59625555

IUPAC[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cnc(C3CC3)nc2NCc2ccco2)CC1
InChIInChI=1S/C20H27N5O2/c1-21-11-14-6-8-25(9-7-14)20(26)17-13-23-18(15-4-5-15)24-19(17)22-12-16-3-2-10-27-16/h2-3,10,13-15,21H,4-9,11-12H2,1H3,(H,22,23,24)
InChIKeyDKZHJXUSILAUNJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.63
Rot. Bonds7

About [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 59625555) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID59625555
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cnc(C3CC3)nc2NCc2ccco2)CC1
InChIInChI=1S/C20H27N5O2/c1-21-11-14-6-8-25(9-7-14)20(26)17-13-23-18(15-4-5-15)24-19(17)22-12-16-3-2-10-27-16/h2-3,10,13-15,21H,4-9,11-12H2,1H3,(H,22,23,24)
InChIKeyDKZHJXUSILAUNJ-UHFFFAOYSA-N
XLogP2.63
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 42642642
[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 59625406
[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone
CID 59625172
[2-(furan-2-ylmethylamino)-6-methyl-3-pyridinyl]-(4-hydroxy-3-phenylpiperidin-1-yl)methanone
CID 59625408
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459286
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide;methyl 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 158544121
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205080
5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide
CID 67094590

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 59625555) is [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cnc(C3CC3)nc2NCc2ccco2)CC1.
What is the InChIKey of [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is DKZHJXUSILAUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-21-11-14-6-8-25(9-7-14)20(26)17-13-23-18(15-4-5-15)24-19(17)22-12-16-3-2-10-27-16/h2-3,10,13-15,21H,4-9,11-12H2,1H3,(H,22,23,24).
What are the key properties of [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 59625555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).