N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C20H27N7O — CID 172901754

IUPACN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1cc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)nc(C2CC2)n1
InChIInChI=1S/C20H27N7O/c1-2-15(1)19-21-8-4-18(25-19)26-9-5-16(6-10-26)23-17-3-7-22-20(24-17)27-11-13-28-14-12-27/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,23,24)
InChIKeyYDIQTGDNFFUCQG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.06
Rot. Bonds5

About N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172901754) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172901754
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1cc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)nc(C2CC2)n1
InChIInChI=1S/C20H27N7O/c1-2-15(1)19-21-8-4-18(25-19)26-9-5-16(6-10-26)23-17-3-7-22-20(24-17)27-11-13-28-14-12-27/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,23,24)
InChIKeyYDIQTGDNFFUCQG-UHFFFAOYSA-N
XLogP2.06
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900091
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 175650740
2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
CID 172900711
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460
2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172901289
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172901754) is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is c1cc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)nc(C2CC2)n1.
What is the InChIKey of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is YDIQTGDNFFUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-2-15(1)19-21-8-4-18(25-19)26-9-5-16(6-10-26)23-17-3-7-22-20(24-17)27-11-13-28-14-12-27/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,23,24).
What are the key properties of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172901754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).