4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

C18H24N6O — CID 57404836

IUPAC4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(NC3CCOCC3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H24N6O/c1-19-17-21-11-14(16(24-17)10-12-2-3-12)15-4-7-20-18(23-15)22-13-5-8-25-9-6-13/h4,7,11-13H,2-3,5-6,8-10H2,1H3,(H,19,21,24)(H,20,22,23)
InChIKeyTWVRUTVUTWLBQP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds6

About 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 57404836) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID57404836
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(NC3CCOCC3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H24N6O/c1-19-17-21-11-14(16(24-17)10-12-2-3-12)15-4-7-20-18(23-15)22-13-5-8-25-9-6-13/h4,7,11-13H,2-3,5-6,8-10H2,1H3,(H,19,21,24)(H,20,22,23)
InChIKeyTWVRUTVUTWLBQP-UHFFFAOYSA-N
XLogP2.52
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (CID 57404836) is 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is CNc1ncc(-c2ccnc(NC3CCOCC3)n2)c(CC2CC2)n1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is TWVRUTVUTWLBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-19-17-21-11-14(16(24-17)10-12-2-3-12)15-4-7-20-18(23-15)22-13-5-8-25-9-6-13/h4,7,11-13H,2-3,5-6,8-10H2,1H3,(H,19,21,24)(H,20,22,23).
What are the key properties of 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 57404836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).