N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

C16H28N4O — CID 106620729

IUPACN-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCOc1cc(N(CC(C)C)CC2CCCN2)ncn1
InChIInChI=1S/C16H28N4O/c1-4-8-21-16-9-15(18-12-19-16)20(10-13(2)3)11-14-6-5-7-17-14/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyPJZLYWVTFLDYFN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.48
Rot. Bonds8

About N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 106620729) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID106620729
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCOc1cc(N(CC(C)C)CC2CCCN2)ncn1
InChIInChI=1S/C16H28N4O/c1-4-8-21-16-9-15(18-12-19-16)20(10-13(2)3)11-14-6-5-7-17-14/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyPJZLYWVTFLDYFN-UHFFFAOYSA-N
XLogP2.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572
N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619278
N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106973354
6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620544
6-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619805
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620698
6-ethoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 106641292
N-ethyl-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619398
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
CID 106641351
6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781024

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (CID 106620729) is N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is CCCOc1cc(N(CC(C)C)CC2CCCN2)ncn1.
What is the InChIKey of N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is PJZLYWVTFLDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-8-21-16-9-15(18-12-19-16)20(10-13(2)3)11-14-6-5-7-17-14/h9,12-14,17H,4-8,10-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106620729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).