N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

C14H24N4O — CID 106619278

IUPACN-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(CC1CCCN1)c1cc(OC(C)C)ncn1
InChIInChI=1S/C14H24N4O/c1-4-18(9-12-6-5-7-15-12)13-8-14(17-10-16-13)19-11(2)3/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyMSFKECMHWDTVBH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds6

About N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 106619278) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID106619278
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(CC1CCCN1)c1cc(OC(C)C)ncn1
InChIInChI=1S/C14H24N4O/c1-4-18(9-12-6-5-7-15-12)13-8-14(17-10-16-13)19-11(2)3/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyMSFKECMHWDTVBH-UHFFFAOYSA-N
XLogP1.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
CID 106641351
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572
N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620729
6-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619805
6-ethoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 106641292
N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106973354
N-methyl-N-piperidin-3-yl-6-propan-2-yloxypyrimidin-4-amine
CID 66333032
6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620544
N-ethyl-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619398
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine
CID 66332429
N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (CID 106619278) is N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is CCN(CC1CCCN1)c1cc(OC(C)C)ncn1.
What is the InChIKey of N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is MSFKECMHWDTVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18(9-12-6-5-7-15-12)13-8-14(17-10-16-13)19-11(2)3/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106619278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).