4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine

C8H15N5 — CID 150249374

IUPAC4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCNC2)C=CN1
InChIInChI=1S/C8H15N5/c9-7-12-4-2-8(10,13-7)6-1-3-11-5-6/h2,4,6,11H,1,3,5,10H2,(H3,9,12,13)
InChIKeyFZFDKFYCVYRMAC-UHFFFAOYSA-N
MW181.24 g/mol
LogP-1.32
Rot. Bonds1

About 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine

4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine (PubChem CID 150249374) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine
PubChem CID150249374
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCNC2)C=CN1
InChIInChI=1S/C8H15N5/c9-7-12-4-2-8(10,13-7)6-1-3-11-5-6/h2,4,6,11H,1,3,5,10H2,(H3,9,12,13)
InChIKeyFZFDKFYCVYRMAC-UHFFFAOYSA-N
XLogP-1.32
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperidin-3-yl-1H-pyrimidine-2,4-diamine
CID 152166767
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704
4-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153927811
4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine
CID 154147072
4-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-diamine
CID 154253562
4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine
CID 154502134
4-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-diamine;hydrochloride
CID 157946324
4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
CID 172844737
(8E)-4-methyl-2,3,3a,4,7,9a-hexahydro-1H-pyrrolo[3,2-e][1,3]diazocine
CID 173713331

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine (CID 150249374) is 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine is NC1=NC(N)(C2CCNC2)C=CN1.
What is the InChIKey of 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is FZFDKFYCVYRMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-7-12-4-2-8(10,13-7)6-1-3-11-5-6/h2,4,6,11H,1,3,5,10H2,(H3,9,12,13).
What are the key properties of 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine?
4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 181.24 g/mol, XLogP of -1.32, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150249374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).