N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine

C18H28N4O2 — CID 133453180

IUPACN-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
SMILESc1nc(NCC2CC2)cc(N2CCC(OCC3CCOC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-2-14(1)10-19-17-9-18(21-13-20-17)22-6-3-16(4-7-22)24-12-15-5-8-23-11-15/h9,13-16H,1-8,10-12H2,(H,19,20,21)
InChIKeyVZTMYBPAYRFBQJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.32
Rot. Bonds7

About N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine

N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 133453180) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
PubChem CID133453180
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
SMILESc1nc(NCC2CC2)cc(N2CCC(OCC3CCOC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-2-14(1)10-19-17-9-18(21-13-20-17)22-6-3-16(4-7-22)24-12-15-5-8-23-11-15/h9,13-16H,1-8,10-12H2,(H,19,20,21)
InChIKeyVZTMYBPAYRFBQJ-UHFFFAOYSA-N
XLogP2.32
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
CID 133453244
N-(cyclopropylmethyl)-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-4-amine
CID 84590310
6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 124735336
N-(cyclopropylmethyl)-6-[4-(oxan-4-yl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 84590308
N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
CID 126813706
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179
8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
CID 133453289
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 95131678
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine (CID 133453180) is N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine is c1nc(NCC2CC2)cc(N2CCC(OCC3CCOC3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is VZTMYBPAYRFBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-14(1)10-19-17-9-18(21-13-20-17)22-6-3-16(4-7-22)24-12-15-5-8-23-11-15/h9,13-16H,1-8,10-12H2,(H,19,20,21).
What are the key properties of N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 133453180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).