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

C14H26N6 — CID 143492553

IUPAC4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CC3CCCC3)N=C(N)N2)C1
InChIInChI=1S/C14H26N6/c1-17-11-8-20(9-11)12-7-14(16,19-13(15)18-12)6-10-4-2-3-5-10/h7,10-11,17H,2-6,8-9,16H2,1H3,(H3,15,18,19)
InChIKeyKDSUPSKQHPDXHX-UHFFFAOYSA-N
MW278.40 g/mol
LogP-0.12
Rot. Bonds4

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

4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492553) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID143492553
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CC3CCCC3)N=C(N)N2)C1
InChIInChI=1S/C14H26N6/c1-17-11-8-20(9-11)12-7-14(16,19-13(15)18-12)6-10-4-2-3-5-10/h7,10-11,17H,2-6,8-9,16H2,1H3,(H3,15,18,19)
InChIKeyKDSUPSKQHPDXHX-UHFFFAOYSA-N
XLogP-0.12
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

CID 143492540
CID 143492540
CID 143492550
CID 143492550
CID 143492570
CID 143492570
CID 143492578
CID 143492578
CID 150302809
CID 150302809
CID 150540590
CID 150540590
CID 151781263
CID 151781263
CID 152054413
CID 152054413
CID 152259813
CID 152259813
CID 153920633
CID 153920633
CID 153920639
CID 153920639
CID 153920641
CID 153920641

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 143492553) is 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)(CC3CCCC3)N=C(N)N2)C1.
What is the InChIKey of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is KDSUPSKQHPDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-17-11-8-20(9-11)12-7-14(16,19-13(15)18-12)6-10-4-2-3-5-10/h7,10-11,17H,2-6,8-9,16H2,1H3,(H3,15,18,19).
What are the key properties of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).