N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

C17H26N4O — CID 171993953

IUPACN-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(CC3CCCOC3)C2)ncn1
InChIInChI=1S/C17H26N4O/c1-2-14(12-22-9-1)10-20-8-6-16(11-20)21(15-3-4-15)17-5-7-18-13-19-17/h5,7,13-16H,1-4,6,8-12H2
InChIKeyREGWRBNSVPVIOR-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.95
Rot. Bonds5

About N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171993953) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171993953
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(CC3CCCOC3)C2)ncn1
InChIInChI=1S/C17H26N4O/c1-2-14(12-22-9-1)10-20-8-6-16(11-20)21(15-3-4-15)17-5-7-18-13-19-17/h5,7,13-16H,1-4,6,8-12H2
InChIKeyREGWRBNSVPVIOR-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171993910
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)piperidin-3-yl]pyrimidine-4,6-diamine
CID 171994661
N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172881525
N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 126890176
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961
N-cyclopropyl-N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890188
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126889048

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 171993953) is N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is c1cc(N(C2CC2)C2CCN(CC3CCCOC3)C2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is REGWRBNSVPVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-14(12-22-9-1)10-20-8-6-16(11-20)21(15-3-4-15)17-5-7-18-13-19-17/h5,7,13-16H,1-4,6,8-12H2.
What are the key properties of N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 302.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171993953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).