N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine

C20H29N5OS — CID 171359340

IUPACN-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine
SMILESc1csc(CN2CCC(NCc3cnc(NC[C@H]4CCCO4)nc3)CC2)c1
InChIInChI=1S/C20H29N5OS/c1-3-18(26-9-1)14-24-20-22-12-16(13-23-20)11-21-17-5-7-25(8-6-17)15-19-4-2-10-27-19/h2,4,10,12-13,17-18,21H,1,3,5-9,11,14-15H2,(H,22,23,24)/t18-/m1/s1
InChIKeyPAECIHNHPRKIJT-GOSISDBHSA-N
MW387.55 g/mol
LogP2.88
Rot. Bonds8

About N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine

N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine (PubChem CID 171359340) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine
PubChem CID171359340
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine
SMILESc1csc(CN2CCC(NCc3cnc(NC[C@H]4CCCO4)nc3)CC2)c1
InChIInChI=1S/C20H29N5OS/c1-3-18(26-9-1)14-24-20-22-12-16(13-23-20)11-21-17-5-7-25(8-6-17)15-19-4-2-10-27-19/h2,4,10,12-13,17-18,21H,1,3,5-9,11,14-15H2,(H,22,23,24)/t18-/m1/s1
InChIKeyPAECIHNHPRKIJT-GOSISDBHSA-N
XLogP2.88
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine (CID 171359340) is N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine is c1csc(CN2CCC(NCc3cnc(NC[C@H]4CCCO4)nc3)CC2)c1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine?
The InChIKey is PAECIHNHPRKIJT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-3-18(26-9-1)14-24-20-22-12-16(13-23-20)11-21-17-5-7-25(8-6-17)15-19-4-2-10-27-19/h2,4,10,12-13,17-18,21H,1,3,5-9,11,14-15H2,(H,22,23,24)/t18-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine?
N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine has a molecular weight of 387.55 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-5-[[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 171359340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).