4-(azocan-1-yl)-6-methylpyrimidin-2-amine

C12H20N4 — CID 11521403

IUPAC4-(azocan-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCCCCC2)nc(N)n1
InChIInChI=1S/C12H20N4/c1-10-9-11(15-12(13)14-10)16-7-5-3-2-4-6-8-16/h9H,2-8H2,1H3,(H2,13,14,15)
InChIKeyKEMQZQKYKCBPPE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.14
Rot. Bonds1

About 4-(azocan-1-yl)-6-methylpyrimidin-2-amine

4-(azocan-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 11521403) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(azocan-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-6-methylpyrimidin-2-amine
PubChem CID11521403
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-(azocan-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCCCCC2)nc(N)n1
InChIInChI=1S/C12H20N4/c1-10-9-11(15-12(13)14-10)16-7-5-3-2-4-6-8-16/h9H,2-8H2,1H3,(H2,13,14,15)
InChIKeyKEMQZQKYKCBPPE-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
CID 103739613
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
CID 78928279
4-methyl-6-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrimidin-2-amine
CID 47419492
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767
4-piperidin-1-yl-6-propylpyrimidin-2-amine
CID 172740401
4-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-2-amine
CID 103850288
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(azocan-1-yl)-6-methylpyrimidin-2-amine (CID 11521403) is 4-(azocan-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCCCCCC2)nc(N)n1.
What is the InChIKey of 4-(azocan-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is KEMQZQKYKCBPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-9-11(15-12(13)14-10)16-7-5-3-2-4-6-8-16/h9H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 4-(azocan-1-yl)-6-methylpyrimidin-2-amine?
4-(azocan-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 11521403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).