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

C12H22N6 — CID 143492570

IUPAC4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C12H22N6/c1-15-9-6-18(7-9)10-5-12(14,4-8-2-3-8)17-11(13)16-10/h5,8-9,15H,2-4,6-7,14H2,1H3,(H3,13,16,17)
InChIKeyQZTHPGWHVDBMIC-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.90
Rot. Bonds4

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

4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492570) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID143492570
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C12H22N6/c1-15-9-6-18(7-9)10-5-12(14,4-8-2-3-8)17-11(13)16-10/h5,8-9,15H,2-4,6-7,14H2,1H3,(H3,13,16,17)
InChIKeyQZTHPGWHVDBMIC-UHFFFAOYSA-N
XLogP-0.90
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 143492570) is 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)(CC3CC3)N=C(N)N2)C1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is QZTHPGWHVDBMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-15-9-6-18(7-9)10-5-12(14,4-8-2-3-8)17-11(13)16-10/h5,8-9,15H,2-4,6-7,14H2,1H3,(H3,13,16,17).
What are the key properties of 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of -0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).