2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine

C12H20N6 — CID 57390344

IUPAC2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(N)nc(NCC3CC3)n2)C1
InChIInChI=1S/C12H20N6/c1-14-9-6-18(7-9)11-4-10(13)16-12(17-11)15-5-8-2-3-8/h4,8-9,14H,2-3,5-7H2,1H3,(H3,13,15,16,17)
InChIKeyYXOUWCCLAZWGFC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.29
Rot. Bonds5

About 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine

2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 57390344) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
PubChem CID57390344
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(N)nc(NCC3CC3)n2)C1
InChIInChI=1S/C12H20N6/c1-14-9-6-18(7-9)11-4-10(13)16-12(17-11)15-5-8-2-3-8/h4,8-9,14H,2-3,5-7H2,1H3,(H3,13,15,16,17)
InChIKeyYXOUWCCLAZWGFC-UHFFFAOYSA-N
XLogP0.29
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (CID 57390344) is 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is CNC1CN(c2cc(N)nc(NCC3CC3)n2)C1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is YXOUWCCLAZWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-14-9-6-18(7-9)11-4-10(13)16-12(17-11)15-5-8-2-3-8/h4,8-9,14H,2-3,5-7H2,1H3,(H3,13,15,16,17).
What are the key properties of 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 248.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 57390344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).