N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine

C14H24N4 — CID 113388029

IUPACN-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
SMILESCCN(c1ncc(CNCC(C)C)cn1)C1CC1
InChIInChI=1S/C14H24N4/c1-4-18(13-5-6-13)14-16-9-12(10-17-14)8-15-7-11(2)3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyVHCORRCAXIAEAN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds7

About N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine

N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine (PubChem CID 113388029) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
PubChem CID113388029
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
SMILESCCN(c1ncc(CNCC(C)C)cn1)C1CC1
InChIInChI=1S/C14H24N4/c1-4-18(13-5-6-13)14-16-9-12(10-17-14)8-15-7-11(2)3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyVHCORRCAXIAEAN-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-ethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 113388064
N-butyl-N-cyclopropyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283589
N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 113388041
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 64522855
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
N-cyclopropyl-N-ethyl-5-methylpyrimidin-2-amine
CID 131110420
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62295141
2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide
CID 103103249
N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81249270
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388089
N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62279375

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine (CID 113388029) is N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine is CCN(c1ncc(CNCC(C)C)cn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The InChIKey is VHCORRCAXIAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-18(13-5-6-13)14-16-9-12(10-17-14)8-15-7-11(2)3/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 113388029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).